(3R)-3-Pyridin-3-Yl-1H-Pyrrolo[1,2-C][1,3]Thiazole-7-Carboxamide

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Properties Simple | Detailed

Formula C12H11N3OS
IUPAC Name (3r)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-4-ium-7a-ylium-7-carboxamide
Molecular Mass 245.300 g·mol−1
Heat of Formation 100.1 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 278.09 Å 3
Surface Area 252.7 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazole-7-carboxamide
  • (3r)-3-(3-pyridyl)-1h,3h-pyrrolo(1,2-c)thiazole-7-carboxamide.
  • (3r)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
  • 1h,3h-pyrrolo[1,2-c]thiazole-7-carboxamide, 3-(3-pyridinyl)-, (3r)-
  • dacopafant
CAS Number(s)
  • 125372-33-0
InChIKey ARFOASMERCHFBY-GFCCVEGCSA-N
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